5-chloroindane-1-carbonitrile - ≥97% , CAS No.132205-76-6

CAS: 132205-76-6 Cat. No.: C637560 Molecular Weight: 177.63 PubChem CID: 14857797
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
DTXSID00564758 | 5-CHLORO-2,3-DIHYDRO-1H-INDENE-1-CARBONITRILE | MFCD11219690 | 5-chloroindane-1-carbonitrile | FT-0767350 | AKOS006305925 | 1H-Indene-1-carbonitrile, 5-chloro-2,3-dihydro- | ISXKBERZGFQBTM-UHFFFAOYSA-N | SY290366 | PS-16305 | SCHEMBL19053
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
C637560-1g
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$398.90

$598.90
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
DTXSID00564758 | 5-CHLORO-2, 3-DIHYDRO-1H-INDENE-1-CARBONITRILE | MFCD11219690 | 5-chloroindane-1-carbonitrile | FT-0767350 | AKOS006305925 | 1H-Indene-1-carbonitrile, 5-chloro-2, 3-dihydro- | ISXKBERZGFQBTM-UHFFFAOYSA-N | SY290366 | PS-16305 | SCHEMBL19053
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesC1CC2=C(C1C#N)C=CC(=C2)Cl
IUPAC Name5-chloro-2,3-dihydro-1H-indene-1-carbonitrile
InChIKeyISXKBERZGFQBTM-UHFFFAOYSA-N
INCHI1S/C10H8ClN/c11-9-3-4-10-7(5-9)1-2-8(10)6-12/h3-5,8H,1-2H2
Isomeric SMILES C1CC2=C(C1C#N)C=CC(=C2)Cl
Alternate CAS 132205-76-6
PubChem CID 14857797
Molecular Weight 177.63

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassIndanes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIndanes
Alternative Parents Aryl chlorides  Nitriles  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Indane - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight177.630 g/mol
XLogP32.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass177.035 Da
Monoisotopic Mass177.035 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count12
Formal Charge0
Complexity217.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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